MMsINC Database Search


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MMsINC code: MMs01483786

Type: Neutral
Formula: C₁₆H₁₀ClFO₃

SMILES:

Clc1cccc(F)c1COc1cc2OC(=O)C=Cc2cc1

InChI:

InChI=1/C16H10ClFO3/c17-13-2-1-3-14(18)12(13)9-20-11-6-4-10-5-7-16(19)21-15(10)8-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9215 kcal/mol

Physical Properties
Molecular Weight: 304.704 g/mol	logS: -5.61855	SlogP: 4.2567	Reactive groups: 0

Topological Properties
Globularity: 0.0603459	Sterimol/B1: 3.66459	Sterimol/B2: 3.87953	Sterimol/B3: 4.66125
Sterimol/B4: 4.72868	Sterimol/L: 16.3195

Surface and Volume Properties
Accessible surface: 503.178	Positive charged surface: 223.939	Negative charged surface: 279.239	Volume: 257.75
Hydrophobic surface: 428.536	Hydrophilic surface: 74.642

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.